SCHEMBL7337246

SCHEMBL7337246

[CH2]c1ccc(NCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.41
IDO1 P14902 1/20 0.37
TNIK Q9UKE5 1/20 0.36
EDNRA P25101 1/20 0.36
MERTK Q12866 1/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AR P10275 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RRM2 P31350 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1924747 0.87 MAPT (0.57) MAPTGAAIDO1TNIKEDNRA
SCHEMBL7360731 0.86 MAPT (0.43) MAPTGAAALDH1A1ARCA1
SCHEMBL2059186 0.85 ABL1 (0.49) MAPTALDH1A1
SCHEMBL27619421 0.83 ABL1 (0.51) MAPTALDH1A1
SCHEMBL8744011 0.83 ABL1 (0.51) MAPTALDH1A1
SCHEMBL27342096 0.83 ABL1 (0.51) MAPTALDH1A1
SCHEMBL222582 0.83 ABL1 (0.51) MAPTALDH1A1
SCHEMBL221358 0.83 ABL1 (0.51) MAPTALDH1A1
SCHEMBL3061946 0.80 MAPT (0.48) MAPTGAAIDO1ALDH1A1MEN1
SCHEMBL11020309 0.80 MAPT (0.50) MAPTGAAIDO1TNIKEDNRA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435503-B1 Improvements in or relating to gylcopeptide derivatives LILLY CO ELI (US) 1999-05-06 EP disclosed
US-5591714-A TREATING VANCOMYCIN RESISTANT ENTEROCOCCUS INFECTIONS WITH GLYCOPEPTIDE ANTIBIOTIC ELI LILLY AND COMPANY (US) 1997-01-07 US disclosed
EP-0435503-A1 Improvements in or relating to gylcopeptide derivatives ELI LILLY AND COMPANY (US) 1991-07-03 EP disclosed